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- From: Yusia Rosee <yrosee@gmail.com>
- To: forum@abinit.org
- Subject: A problem about GW calculation
- Date: Mon, 28 Jan 2008 13:59:52 -0500
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Dear All,
When I do the screening calculation in the GW calculation without using the plasmon pole model, I get the following error:
......
timing point number 20
-cpu time = 0.02 seconds
-real time = 0.06 seconds
setmesh: npwwfn = 6043 ; Max (m1,m2,m3) = 11 11 11
setmesh: npweps/npwsigx = 2801 ; Max (mm1,mm2,mm3) = 10 10 10
addshell = 2
setmesh: using method 1 with aliasing_factor = 1
setmesh : finding a FFT mesh compatible with all the symmetries
setmesh : divisor mesh119119119
sizefft : ERROR-
nbest = 2049
is larger than any allowable FFT
leave_new : decision taken to exit ...
It seems related to the FFT grid. But when I decrease the cutoff energies, I always get the same error. So, how to solve this problem, please?
Thank you very much!
Yusia
- A problem about GW calculation, Yusia Rosee, 01/28/2008
- Re: [abinit-forum] A problem about GW calculation, Anglade Pierre-Matthieu, 01/29/2008
- Re: [abinit-forum] A problem about GW calculation, Yusia Rosee, 01/29/2008
- Re: [abinit-forum] A problem about GW calculation, Anglade Pierre-Matthieu, 01/29/2008
- Re: [abinit-forum] A problem about GW calculation, Yusia Rosee, 01/29/2008
- Re: [abinit-forum] A problem about GW calculation, Xavier Gonze, 01/30/2008
- Re: [abinit-forum] A problem about GW calculation, Yusia Rosee, 01/30/2008
- Re: [abinit-forum] A problem about GW calculation, Anglade Pierre-Matthieu, 01/29/2008
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